Fmoc-3-aminomethylbenzoic acid

C₂₃H₁₉NO₄CAS 155369-11-2373.41 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₃H₁₉NO₄
Molar mass: 373.41 g/mol
Exact mass: 373.1314 Da
logP: 4.42Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

155369-11-2

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CC(=CC=C4)C(=O)O

InChIKey

VODSFAVGEJUBHO-UHFFFAOYSA-N

InChI

InChI=1S/C23H19NO4/c25-22(26)16-7-5-6-15(12-16)13-24-23(27)28-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)

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Names and synonyms

1 names

3-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)benzoic acid

Work with Fmoc-3-aminomethylbenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fmoc-3-aminobenzoic acid185116-42-169 % similar Fmoc-4-aminobenzoic acid185116-43-260 % similar Boc-3-aminomethylbenzoic acid117445-22-457 % similar Fmoc-B-ala-oh35737-10-155 % similar Fmoc-2-aminobenzoic acid150256-42-155 % similar (9H-Fluoren-9-yl)methyl N-(2-hydroxyethyl)carbamate105496-31-954 % similar 9-Fluorenylmethyl N-hydroxycarbamate190656-01-052 % similar N-(9-Fluorenylmethoxycarbonyl)-3-aminopropan-1-ol157887-82-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Fmoc-L-phenylglycine102410-65-1 Fmoc-D-phg-oh111524-95-9 4-(Fmoc-aminomethyl)benzoic acid164470-64-8

Elsewhere

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